methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate

C10H15N3O2S — CID 65275372

IUPACmethyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)c1nc(C2CC2)ns1
InChIInChI=1S/C10H15N3O2S/c1-13(6-5-8(14)15-2)10-11-9(12-16-10)7-3-4-7/h7H,3-6H2,1-2H3
InChIKeyJQWNHQULASVULX-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.41
Rot. Bonds5

About methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate

methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate (PubChem CID 65275372) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate
PubChem CID65275372
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)c1nc(C2CC2)ns1
InChIInChI=1S/C10H15N3O2S/c1-13(6-5-8(14)15-2)10-11-9(12-16-10)7-3-4-7/h7H,3-6H2,1-2H3
InChIKeyJQWNHQULASVULX-UHFFFAOYSA-N
XLogP1.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate (CID 65275372) is methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate is COC(=O)CCN(C)c1nc(C2CC2)ns1.
What is the InChIKey of methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate?
The InChIKey is JQWNHQULASVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13(6-5-8(14)15-2)10-11-9(12-16-10)7-3-4-7/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate?
methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate has a molecular weight of 241.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoate is sourced from PubChem (CID 65275372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).